CS-1004722
Fluconazole Impurity 9
Manufacturer: ChemScene
CAS Number: 749821-19-0
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₄F₂N₇O+
Molecular Weight
322.29
Synonyms
None
SMILES
FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)CN3N=C[N+](N)=C3
Tpsa
98.66
Logp
-0.6579
H Acceptors
7
H Donors
2
Rotatable Bonds
5
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₄F₂N₇O+
Molecular Weight: 322.29
Synonyms: None
SMILES: FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)CN3N=C[N+](N)=C3
Tpsa: 98.66
Logp: -0.6579
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 5
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄F₂N₇O+
Molecular Weight:
322.29
Synonyms:
None
SMILES:
FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)CN3N=C[N+](N)=C3
Tpsa:
98.66
Logp:
-0.6579
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₄₅ClN₂O₁₅
Molecular Weight: 733.16
Synonyms: None
SMILES: C(OCC)(=O)C=1C(C(C(OC)=O)=C(C)NC1COCCN[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C4=C(Cl)C=CC=C4
Tpsa: 255.19
Logp: -2.4787
H Acceptors: 17
H Donors: 9
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₄₅ClN₂O₁₅
Molecular Weight:
733.16
Synonyms:
None
SMILES:
C(OCC)(=O)C=1C(C(C(OC)=O)=C(C)NC1COCCN[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C4=C(Cl)C=CC=C4
Tpsa:
255.19
Logp:
-2.4787
H Acceptors:
17
H Donors:
9
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₆N₄O₁₂S₃
Molecular Weight: 624.58
Synonyms: None
SMILES: O=C(O)C1=NN(C(=O)C1=NNC=2C=CC(=CC2C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O
Tpsa: 257.47
Logp: 1.349
H Acceptors: 11
H Donors: 5
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₆N₄O₁₂S₃
Molecular Weight:
624.58
Synonyms:
None
SMILES:
O=C(O)C1=NN(C(=O)C1=NNC=2C=CC(=CC2C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O
Tpsa:
257.47
Logp:
1.349
H Acceptors:
11
H Donors:
5
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇NO₂
Molecular Weight: 149.15
Synonyms: None
SMILES: O=C(N)C(=O)C=1C=CC=CC1
Tpsa: 60.16
Logp: 0.3546
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇NO₂
Molecular Weight:
149.15
Synonyms:
None
SMILES:
O=C(N)C(=O)C=1C=CC=CC1
Tpsa:
60.16
Logp:
0.3546
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2